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(Q82233190)
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NSC271225
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
503.1362357599999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₂₅N₃O₈S
0 references
canonical SMILES
COc1cc(/C=C/c2ncc([N+](=O)[O-])n2CCOS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CN=C2/C=C/C3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C23H25N3O8S/c1-16-5-8-18(9-6-16)35(29,30)34-12-11-25-21(24-15-22(25)26(27)28)10-7-17-13-19(31-2)23(33-4)20(14-17)32-3/h5-10,13-15H,11-12H2,1-4H3/b10-7+
0 references
InChIKey
FETOSXYSJJVOKZ-JXMROGBWSA-N
0 references
CAS Registry Number
30579-53-4
0 references
PubChem CID
5980528
1 reference
matched by identifier from
InChIKey
InChIKey
FETOSXYSJJVOKZ-JXMROGBWSA-N
UniChem compound ID
64132856
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40421619
1 reference
matched by identifier from
InChIKey
InChIKey
FETOSXYSJJVOKZ-JXMROGBWSA-N
DSSTOX compound identifier
DTXCID10372462
0 references
NSC number
271225
0 references
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